4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-15.029179071275792 stress="-16.50423377459753 -0.3746653017501418 1.4507514296657806 -0.3746653017501418 -19.432922219187653 -1.4822497821070053 1.4507514296657806 -1.4822497821070053 -19.838707696293653" pbc="F F F" Nb -0.03624564 -0.09416457 -0.24440284 -4.58484073 -7.00395461 -6.55581365 Nb 1.20178472 1.79874826 -0.22709028 5.96687521 5.83849834 -5.04398139 Nb 1.38090187 -0.13863341 1.55835534 5.39433574 -4.03826351 4.47519533 Nb -0.25354363 1.48193431 1.42001865 -6.77637022 5.20371978 7.12459972